熒光素二乙酸鹽(596-09-8)Raman光譜
InChI:InChI=1S/C24H16O7/c1-13(25)28-15-7-9-19-21(11-15)30-22-12-16(29-14(2)26)8-10-20(22)24(19)18-6-4-3-5-17(18)23(27)31-24/h3-12H,1-2H3
InChIKey: CHADEQDQBURGHL-UHFFFAOYSA-N
Smiles:C12(C3=C(C=C(OC(C)=O)C=C3)OC3=C1C=CC(OC(C)=O)=C3)C1=C(C=CC=C1)C(=O)O2
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Mass
MS-NW-6565
fluorescein diacetate
C24H16O7 (Mass of molecular ion: 416)
Source Temperature: 210 °C
Sample Temperature: 180 °C
Direct, 75 eV
14.0 3.3
15.0 8.4
17.0 1.0
18.0 4.6
28.0 3.8
39.0 1.2
41.0 1.3
42.0 5.6
43.0 47.0
44.0 1.6
50.0 1.5
51.0 1.5
63.0 3.8
69.0 2.8
74.0 1.5
75.0 3.1
76.0 7.6
77.0 1.8
87.0 1.3
104.0 4.6
115.0 1.0
126.0 1.0
139.0 3.5
150.0 2.0
151.0 1.7
152.0 1.1
155.0 1.1
163.0 2.1
174.0 1.5
175.0 1.8
176.0 3.4
183.0 2.0
187.0 2.8
188.0 1.5
189.0 4.7
190.0 1.3
199.0 1.9
200.0 6.7
201.0 5.7
202.0 13.4
203.0 3.0
205.0 1.2
211.0 1.0
213.0 3.9
214.0 1.1
229.0 3.7
230.0 1.7
231.0 3.2
242.0 1.9
247.0 1.1
258.0 11.0
259.0 10.4
260.0 2.3
270.0 5.6
271.0 37.5
272.0 8.4
273.0 1.3
275.0 1.6
286.0 2.5
287.0 100.0
288.0 56.7
289.0 9.1
290.0 1.1
303.0 4.5
304.0 2.7
312.0 1.1
313.0 14.2
314.0 4.4
329.0 11.9
330.0 36.6
331.0 7.9
332.0 3.2
372.0 12.4
373.0 4.8
374.0 1.2
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C24 H16 O7
|
0.048 g : 0.5 ml CDCl3
|
| fluorescein diacetate
|
 |
Assign. Shift(ppm)
A 8.017
B 7.69
C 7.60
D 7.19
E 7.093
F 6.82
G 6.81
J 2.297
|
Hz ppm Int.
715.00 7.984 33
714.19 7.975 31
690.19 7.707 39
688.50 7.688 54
685.06 7.650 72
681.31 7.608 52
679.88 7.592 39
646.38 7.218 33
636.63 7.109 100
635.38 7.095 183
633.94 7.079 128
611.31 6.826 438
610.06 6.812 293
205.69 2.297 1000
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| 1H NMR |
399.65 MHz |
| C24 H16 O7
|
0.027 g : 0.5 ml CDCl3
|
| fluorescein diacetate
|
|
Assign. Shift(ppm)
A 8.034
B 7.684
C 7.638
D 7.190
E 7.100
F 6.83
G 6.82
J 2.309
90MHZ : HSP-03-340
|
Hz ppm Int.
3214.97 8.045 38
3214.48 8.044 42
3213.50 8.041 34
3208.13 8.028 35
3207.52 8.026 42
3206.91 8.025 42
3206.18 8.023 35
3073.00 7.690 52
3071.66 7.686 47
3065.55 7.671 43
3064.21 7.668 39
3059.45 7.656 38
3058.23 7.653 44
3052.00 7.637 48
3050.78 7.634 54
2877.56 7.201 33
2876.71 7.199 44
2876.34 7.198 45
2875.73 7.196 37
2870.12 7.182 34
2869.14 7.180 49
2868.16 7.177 32
2837.52 7.101 136
2836.67 7.098 170
2835.57 7.096 144
2834.84 7.094 150
2735.96 6.846 31
2728.15 6.827 259
2727.29 6.825 270
2726.81 6.823 273
2724.85 6.819 203
2716.19 6.797 31
922.73 2.309 1000